94-53-1
| Name | Piperonylic acid |
| CAS | 94-53-1 |
| EINECS(EC#) | 202-342-8 |
| Molecular Formula | C8H6O4 |
| MDL Number | MFCD00005830 |
| Molecular Weight | 166.13 |
| MOL File | 94-53-1.mol |
Chemical Properties
| Appearance | white to light yellow crystal powde |
| Melting point | 229-231 °C (lit.) |
| Boiling point | 254.32°C (rough estimate) |
| density | 1.3579 (rough estimate) |
| refractive index | 1.5090 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Powder |
| pka | 4.35±0.20(Predicted) |
| color | Off-white to beige |
| Water Solubility | slightly soluble |
| Detection Methods | HPLC,NMR |
| Merck | 14,7477 |
| BRN | 150206 |
| Cosmetics Ingredients Functions | SKIN PROTECTING SKIN CONDITIONING |
| InChI | 1S/C8H6O4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H,9,10) |
| InChIKey | VDVJGIYXDVPQLP-UHFFFAOYSA-N |
| SMILES | OC(=O)c1ccc2OCOc2c1 |
| LogP | 0.810 (est) |
Safety Data
| Symbol(GHS) |   GHS05,GHS07 |
| Signal word | Danger |
| Hazard statements | H302-H315-H318-H335-H319 |
| Precautionary statements | P264-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280a-P304+P340-P405-P501a-P261-P280-P305+P351+P338 |
| Hazard Codes | Xn,Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| RTECS | DF4912765 |
| Hazard Note | Irritant |
| TSCA | Yes |
| REACH Registrations | Active |
| HS Code | 29329970 |
| Storage Class | 11 - Combustible Solids |
| Hazardous Substances Data | 94-53-1(Hazardous Substances Data) |